#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s TYR 2 N 0.00 3.52 0.03 2.03 1.51 -1.26 -2.00 117.35 121.17 3hkz s TYR 2 Ca 0.00 1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 57.35 3hkz s TYR 2 Cb 0.00 -2.65 0.01 0.00 -0.11 0.00 0.00 41.96 39.21 3hkz s TYR 2 CO 0.00 0.18 0.24 -1.59 -1.11 0.00 0.00 175.55 173.27 3hkz s LYS 3 N -2.48 0.70 -0.16 -0.62 -2.85 0.17 -4.98 119.74 109.52 3hkz s LYS 3 Ca 0.50 -0.50 -0.02 0.00 -1.00 0.00 0.00 55.97 54.95 3hkz s LYS 3 Cb -0.14 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 3hkz s LYS 3 CO 0.19 -0.21 -0.09 -1.17 0.10 0.00 0.00 175.35 174.17 3hkz s LEU 4 N -1.89 2.83 -0.19 2.77 0.20 -1.26 0.11 118.68 121.26 3hkz s LEU 4 Ca -0.07 -0.32 -0.00 0.00 0.69 0.00 0.00 54.13 54.42 3hkz s LEU 4 Cb -0.02 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 3hkz s LEU 4 CO -0.02 0.11 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.37 3hkz s ILE 5 N 0.68 2.44 -0.40 6.68 1.09 -0.95 -4.95 121.20 125.78 3hkz s ILE 5 Ca -0.05 -0.81 -0.28 0.00 -1.10 0.00 0.00 60.65 58.40 3hkz s ILE 5 Cb -0.15 -2.05 -0.00 0.00 -1.06 0.00 0.00 42.46 39.20 3hkz s ILE 5 CO 0.02 0.51 1.57 -0.54 -0.10 0.00 0.00 174.94 176.41 3hkz s LYS 6 N 1.28 3.42 0.35 2.79 1.02 -1.26 0.01 119.74 127.35 3hkz s LYS 6 Ca 0.04 1.06 0.09 0.00 0.02 0.00 0.00 55.97 57.18 3hkz s LYS 6 Cb -0.14 -4.11 -0.07 0.00 -0.52 0.00 0.00 37.83 33.00 3hkz s LYS 6 CO -0.09 -1.76 -0.09 0.00 -0.92 0.00 0.00 175.35 172.50 3hkz s ALA 7 N 6.19 2.98 -0.06 5.17 0.00 0.10 -4.99 121.76 131.14 3hkz s ALA 7 Ca 0.68 -2.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 3hkz s ALA 7 Cb -0.17 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.94 3hkz s ALA 7 CO 0.32 0.07 0.11 1.03 0.00 0.00 0.00 175.76 177.29 3hkz s ARG 8 N -3.62 -0.02 0.44 0.00 0.52 -1.26 -1.51 118.95 113.50 3hkz s ARG 8 Ca 0.33 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.04 3hkz s ARG 8 Cb 0.03 -0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.11 3hkz s ARG 8 CO 0.17 -0.31 0.12 -1.54 0.02 0.00 0.00 175.30 173.75 3hkz s SER 9 N 2.18 3.11 -0.30 0.23 1.04 -0.81 -5.01 113.70 114.15 3hkz s SER 9 Ca 0.03 -1.72 0.02 0.00 0.48 0.00 0.00 55.95 54.76 3hkz s SER 9 Cb -0.12 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.68 3hkz s SER 9 CO -0.04 -0.97 0.02 -0.63 0.98 0.00 0.00 173.24 172.60 3hkz s ILE 10 N -3.13 1.73 -0.45 -1.02 1.09 -1.26 -1.64 121.20 116.51 3hkz s ILE 10 Ca 0.19 -1.76 -0.14 0.00 -1.10 0.00 0.00 60.65 57.84 3hkz s ILE 10 Cb 0.01 -2.17 0.07 0.00 -1.06 0.00 0.00 42.46 39.31 3hkz s ILE 10 CO 0.12 -0.44 0.35 -0.69 -0.10 0.00 0.00 174.94 174.19 3hkz s VAL 11 N 1.22 5.02 0.05 2.92 1.01 -0.05 -4.86 120.40 125.70 3hkz s VAL 11 Ca 0.04 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 3hkz s VAL 11 Cb -0.19 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3hkz s VAL 11 CO -0.11 -0.52 1.28 -0.60 0.00 0.00 0.00 175.10 175.14 3hkz s ARG 12 N 1.60 4.37 -0.21 2.72 3.00 -1.26 -2.59 118.95 126.59 3hkz s ARG 12 Ca 0.04 1.86 -0.07 0.00 -1.00 0.00 0.00 55.73 56.55 3hkz s ARG 12 Cb -0.23 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 3hkz s ARG 12 CO 0.06 -0.37 0.07 0.42 0.00 0.00 0.00 175.30 175.47 3hkz s ILE 13 N 1.45 4.58 0.81 4.11 1.01 0.57 -4.87 121.20 128.86 3hkz s ILE 13 Ca 0.60 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 3hkz s ILE 13 Cb -0.31 -3.10 0.08 0.00 0.01 0.00 0.00 42.46 39.14 3hkz s ILE 13 CO 0.28 0.41 1.09 -2.84 0.00 0.00 0.00 174.94 173.88 3hkz s PRO 14 N 0.90 1.99 0.10 2.79 0.02 -1.26 -1.26 135.00 138.28 3hkz s PRO 14 Ca 0.04 1.03 -0.24 0.00 0.02 0.00 0.00 61.00 61.84 3hkz s PRO 14 Cb -0.14 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 3hkz s PRO 14 CO 0.03 -1.79 1.69 -1.35 -0.33 0.00 0.00 177.00 175.25 3hkz h PRO 15 N -1.23 -0.22 -0.89 5.54 0.11 -1.90 -2.76 132.00 130.64 3hkz h PRO 15 Ca -0.45 0.01 0.26 0.00 0.11 0.00 0.00 66.00 65.93 3hkz h PRO 15 Cb 1.25 0.05 -0.17 0.00 0.11 0.00 0.00 31.00 32.24 3hkz h PRO 15 CO 0.53 -0.15 0.06 0.09 -0.21 0.00 0.00 178.00 178.33 3hkz n ASN 16 N -5.24 -0.06 -1.51 -2.05 5.03 -1.26 -0.67 115.26 109.49 3hkz n ASN 16 Ca -0.06 1.52 -0.09 0.00 0.87 0.00 0.00 54.58 56.81 3hkz n ASN 16 Cb 0.16 -0.57 0.05 0.00 -1.02 0.00 0.00 39.78 38.40 3hkz n ASN 16 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hkz n GLU 17 N -5.28 1.45 0.06 3.52 -0.58 -1.04 -4.44 120.64 114.33 3hkz n GLU 17 Ca 0.22 -1.02 -0.21 0.00 -0.42 0.00 0.00 57.16 55.73 3hkz n GLU 17 Cb 0.74 -1.40 -0.15 0.00 -0.57 0.00 0.00 31.44 30.06 3hkz n GLU 17 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3hkz h PHE 18 N 0.61 0.59 0.00 -0.32 -1.00 -1.03 -3.26 116.94 112.53 3hkz h PHE 18 Ca 0.21 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 60.56 3hkz h PHE 18 Cb 1.43 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.97 3hkz h PHE 18 CO 0.56 1.60 0.00 0.41 -1.61 0.00 0.00 178.31 179.27 3hkz n GLY 19 N 1.83 -1.20 3.77 -1.45 0.00 -1.26 -4.85 105.19 102.02 3hkz n GLY 19 Ca -0.24 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3hkz n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 20 N -2.90 3.54 0.00 1.61 1.02 -1.23 -5.06 119.74 116.73 3hkz s LYS 20 Ca 0.13 -0.24 -0.26 0.00 0.02 0.00 0.00 55.97 55.62 3hkz s LYS 20 Cb 0.14 -3.14 -0.13 0.00 -0.52 0.00 0.00 37.83 34.19 3hkz s LYS 20 CO 0.38 0.60 0.68 -2.30 -0.92 0.00 0.00 175.35 173.80 3hkz n PRO 21 N 2.51 0.00 0.08 -1.68 -0.01 -1.26 -4.90 135.00 129.73 3hkz n PRO 21 Ca -0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 63.50 63.21 3hkz n PRO 21 Cb 0.54 -0.96 0.00 0.00 -0.01 0.00 0.00 33.50 33.07 3hkz n PRO 21 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 3hkz h LEU 22 N 1.91 0.32 0.05 2.45 4.07 -1.96 -3.33 115.31 118.82 3hkz h LEU 22 Ca -0.33 -0.25 -0.22 0.00 0.08 0.00 0.00 57.88 57.16 3hkz h LEU 22 Cb 0.92 -0.10 0.02 0.00 1.08 0.00 0.00 40.66 42.58 3hkz h LEU 22 CO 0.42 1.03 -0.90 0.78 -1.08 0.00 0.00 178.44 178.68 3hkz h ASN 23 N 0.15 0.71 0.02 -0.43 2.35 -1.93 -1.89 115.58 114.56 3hkz h ASN 23 Ca -0.04 -0.80 0.01 0.00 -0.55 0.00 0.00 56.30 54.92 3hkz h ASN 23 Cb 1.46 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 3hkz h ASN 23 CO 0.13 1.42 -0.27 -0.33 -1.65 0.00 0.00 177.43 176.74 3hkz h GLU 24 N 0.08 -0.34 -0.72 0.81 5.08 -1.98 -2.26 114.58 115.26 3hkz h GLU 24 Ca -0.13 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3hkz h GLU 24 Cb 1.60 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.84 3hkz h GLU 24 CO 0.17 -0.22 -0.42 -0.89 -1.00 0.00 0.00 179.01 176.66 3hkz n ILE 25 N -3.96 -0.48 -0.11 3.13 2.08 -1.21 -1.12 119.36 117.69 3hkz n ILE 25 Ca -0.04 1.73 -0.05 0.00 0.56 0.00 0.00 62.75 64.95 3hkz n ILE 25 Cb 0.20 -2.15 0.01 0.00 -0.75 0.00 0.00 39.64 36.95 3hkz n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hkz h ALA 26 N 0.40 0.22 -0.10 -1.39 0.00 -1.03 -0.79 119.26 116.57 3hkz h ALA 26 Ca 0.12 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hkz h ALA 26 Cb 0.30 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hkz h ALA 26 CO -0.68 -0.47 0.03 1.25 0.00 0.00 0.00 179.25 179.38 3hkz h LEU 27 N -0.03 0.15 0.56 0.00 6.46 -0.54 -1.78 115.31 120.14 3hkz h LEU 27 Ca 0.19 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3hkz h LEU 27 Cb 0.31 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3hkz h LEU 27 CO -0.41 0.33 -0.50 0.78 -0.62 0.00 0.00 178.44 178.02 3hkz h ASN 28 N -0.04 -1.35 0.00 1.25 2.35 -0.95 1.56 115.58 118.40 3hkz h ASN 28 Ca 0.03 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3hkz h ASN 28 Cb 0.24 0.43 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3hkz h ASN 28 CO -0.00 -0.68 0.01 -0.62 -1.65 0.00 0.00 177.43 174.49 3hkz n GLU 29 N -5.50 0.00 -0.12 0.81 -0.58 -0.33 -1.68 120.64 113.24 3hkz n GLU 29 Ca -0.13 0.45 -0.15 0.00 -0.42 0.00 0.00 57.16 56.92 3hkz n GLU 29 Cb 0.47 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.70 3hkz n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hkz n LEU 30 N -1.45 1.96 0.08 -4.62 0.00 -0.53 -3.83 117.00 108.61 3hkz n LEU 30 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 56.01 55.84 3hkz n LEU 30 Cb 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 43.42 42.97 3hkz n LEU 30 CO 0.00 0.77 0.51 0.03 0.00 0.00 0.00 177.39 178.70 3hkz h ARG 31 N 0.00 -0.37 0.00 1.96 3.08 0.31 -2.17 114.38 117.19 3hkz h ARG 31 Ca -0.55 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3hkz h ARG 31 Cb 1.98 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.12 3hkz h ARG 31 CO -0.05 -0.25 0.00 1.04 -1.07 0.00 0.00 179.97 179.64 3hkz n GLN 32 N -3.84 0.46 -0.11 0.04 6.02 -0.96 -0.30 117.38 118.68 3hkz n GLN 32 Ca -0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.72 3hkz n GLN 32 Cb 0.20 -1.14 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 3hkz n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hkz n GLN 33 N -0.64 0.63 0.00 -1.09 1.13 -0.86 -4.80 117.38 111.76 3hkz n GLN 33 Ca 0.03 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 3hkz n GLN 33 Cb 0.01 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.81 3hkz n GLN 33 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hkz n TYR 34 N -3.76 0.00 -2.42 1.08 0.53 -0.92 -5.02 117.16 106.66 3hkz n TYR 34 Ca -0.46 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.00 3hkz n TYR 34 Cb 0.93 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.21 3hkz n TYR 34 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 3hkz s GLN 35 N -0.86 4.44 -1.34 -0.72 -0.21 0.59 -2.59 119.66 118.96 3hkz s GLN 35 Ca 0.00 1.78 -0.05 0.00 0.02 0.00 0.00 55.36 57.11 3hkz s GLN 35 Cb 0.00 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.68 3hkz s GLN 35 CO 0.00 -0.23 0.68 0.39 -2.12 0.00 0.00 175.29 174.02 3hkz n GLU 36 N 3.71 -5.13 -4.56 2.91 1.02 -0.67 -4.93 120.64 112.99 3hkz n GLU 36 Ca 0.08 0.80 -0.26 0.00 -0.02 0.00 0.00 57.16 57.76 3hkz n GLU 36 Cb 0.46 -5.48 -0.10 0.00 -0.02 0.00 0.00 31.44 26.30 3hkz n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3hkz s LYS 37 N -5.73 1.88 0.00 3.49 1.02 -1.07 -4.93 119.74 114.40 3hkz s LYS 37 Ca 0.34 -2.10 0.00 0.00 0.02 0.00 0.00 55.97 54.23 3hkz s LYS 37 Cb -0.15 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 3hkz s LYS 37 CO 0.42 -0.24 0.00 -0.89 -0.92 0.00 0.00 175.35 173.72 3hkz n ILE 38 N -0.90 0.00 0.00 2.17 2.08 -1.26 -0.55 119.36 120.90 3hkz n ILE 38 Ca -0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3hkz n ILE 38 Cb 0.66 -0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.55 3hkz n ILE 38 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3hkz n LEU 39 N 0.00 0.00 0.00 1.39 0.00 -1.26 -4.84 117.00 112.29 3hkz n LEU 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3hkz n LEU 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3hkz n LEU 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.56 3hkz n LYS 40 N 0.00 0.00 0.06 1.96 3.00 -1.26 -4.97 118.16 116.96 3hkz n LYS 40 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3hkz n LYS 40 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 3hkz n LYS 40 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3hkz h ASP 41 N 0.02 -0.18 0.23 3.14 3.45 -2.02 -3.36 116.42 117.70 3hkz h ASP 41 Ca 0.00 -0.35 -0.01 0.00 0.43 0.00 0.00 57.03 57.10 3hkz h ASP 41 Cb 0.00 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3hkz h ASP 41 CO 0.00 0.31 -0.11 -0.07 -1.57 0.00 0.00 179.24 177.79 3hkz h LEU 42 N -0.72 -0.27 0.00 1.55 3.38 -1.93 -3.51 115.31 113.81 3hkz h LEU 42 Ca -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hkz h LEU 42 Cb 0.51 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hkz h LEU 42 CO 0.04 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3hkz n GLY 43 N -0.18 0.79 3.55 0.83 0.00 -1.26 -4.73 105.19 104.19 3hkz n GLY 43 Ca -0.09 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.32 3hkz n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkz s LEU 44 N 0.00 3.26 -0.19 0.99 2.96 0.13 -4.37 118.68 121.45 3hkz s LEU 44 Ca 0.00 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 3hkz s LEU 44 Cb 0.00 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 3hkz s LEU 44 CO 0.00 -2.22 2.00 -0.69 -1.32 0.00 0.00 176.35 174.12 3hkz s VAL 45 N 7.99 3.21 -0.12 1.68 1.01 0.29 -3.10 120.40 131.36 3hkz s VAL 45 Ca 0.57 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 3hkz s VAL 45 Cb -0.09 -3.24 -0.26 0.00 0.00 0.00 0.00 36.38 32.79 3hkz s VAL 45 CO 0.11 -0.12 0.56 -0.07 0.00 0.00 0.00 175.10 175.58 3hkz h LEU 46 N 13.45 0.28 -7.71 3.92 3.38 -1.75 -1.80 115.31 125.09 3hkz h LEU 46 Ca -0.40 -0.83 0.09 0.00 0.09 0.00 0.00 57.88 56.83 3hkz h LEU 46 Cb 1.21 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 3hkz h LEU 46 CO 0.98 1.50 0.31 0.00 0.09 0.00 0.00 178.44 181.32 3hkz s ALA 47 N -2.42 -1.43 -0.03 1.53 0.00 -1.15 -4.66 121.76 113.61 3hkz s ALA 47 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3hkz s ALA 47 Cb 0.03 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3hkz s ALA 47 CO 0.74 -0.98 -0.11 0.42 0.00 0.00 0.00 175.76 175.83 3hkz s ILE 48 N -3.67 0.93 0.00 0.00 1.01 -1.26 -1.61 121.20 116.59 3hkz s ILE 48 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3hkz s ILE 48 Cb -0.04 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.62 3hkz s ILE 48 CO 0.02 0.28 0.00 0.18 0.00 0.00 0.00 174.94 175.42 3hkz n LEU 49 N 3.24 0.00 -4.55 2.97 4.77 -1.10 -5.01 117.00 117.31 3hkz n LEU 49 Ca -0.18 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.44 3hkz n LEU 49 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3hkz n LEU 49 CO 0.25 0.00 1.48 0.20 -1.33 0.00 0.00 177.39 177.99 3hkz s ASN 50 N 0.72 5.41 -0.44 -1.43 -0.87 -1.26 -4.83 114.94 112.24 3hkz s ASN 50 Ca 0.00 -0.10 -0.06 0.00 -1.57 0.00 0.00 52.86 51.13 3hkz s ASN 50 Cb 0.00 -2.54 -0.15 0.00 -0.02 0.00 0.00 41.25 38.53 3hkz s ASN 50 CO 0.00 -2.36 2.70 1.33 -2.57 0.00 0.00 177.10 176.20 3hkz n VAL 51 N 7.25 2.59 0.00 1.60 0.24 -1.26 -1.99 118.33 126.77 3hkz n VAL 51 Ca 0.24 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 3hkz n VAL 51 Cb 0.50 -2.04 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 3hkz n VAL 51 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3hkz n LYS 52 N 3.10 0.00 -3.72 7.34 2.85 -1.11 -4.23 118.16 122.39 3hkz n LYS 52 Ca 0.42 0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.64 3hkz n LYS 52 Cb 0.50 -1.55 -0.12 0.00 -0.65 0.00 0.00 35.03 33.20 3hkz n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3hkz s THR 53 N -1.87 -0.04 -0.40 0.58 2.01 -1.22 -4.91 115.64 109.79 3hkz s THR 53 Ca 0.00 0.13 0.11 0.00 0.31 0.00 0.00 61.69 62.24 3hkz s THR 53 Cb 0.00 -0.44 0.41 0.00 0.01 0.00 0.00 72.50 72.47 3hkz s THR 53 CO 0.00 0.05 0.94 -1.20 -0.69 0.00 0.00 174.62 173.72 3hkz n SER 54 N 4.20 2.61 -4.68 3.53 7.64 -1.26 -3.61 113.62 122.04 3hkz n SER 54 Ca -0.24 -3.19 -0.42 0.00 1.01 0.00 0.00 58.87 56.03 3hkz n SER 54 Cb 0.54 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3hkz n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3hkz s GLU 55 N -3.13 4.16 -0.42 1.43 2.02 -1.08 -4.87 118.70 116.81 3hkz s GLU 55 Ca 0.39 2.51 -0.40 0.00 0.02 0.00 0.00 54.97 57.48 3hkz s GLU 55 Cb 0.39 -3.73 -0.16 0.00 0.10 0.00 0.00 34.13 30.74 3hkz s GLU 55 CO -0.07 -0.84 2.13 -1.91 0.02 0.00 0.00 175.26 174.59 3hkz n GLU 56 N 6.10 0.51 0.00 1.61 2.13 -1.26 -3.76 120.64 125.97 3hkz n GLU 56 Ca 0.18 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.14 3hkz n GLU 56 Cb 0.40 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.17 3hkz n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hkz n GLY 57 N 6.88 0.45 3.07 8.31 0.00 -1.26 -4.95 105.19 117.69 3hkz n GLY 57 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 3hkz n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 58 N 1.11 -0.00 0.09 -0.61 -1.09 -0.02 -5.02 121.20 115.66 3hkz s ILE 58 Ca 0.00 0.02 -0.05 0.00 -2.23 0.00 0.00 60.65 58.39 3hkz s ILE 58 Cb 0.00 -0.29 -0.05 0.00 -1.58 0.00 0.00 42.46 40.54 3hkz s ILE 58 CO 0.00 0.01 0.32 -0.76 -1.23 0.00 0.00 174.94 173.27 3hkz s LEU 59 N 0.22 4.32 -0.11 2.97 1.43 -1.26 -2.49 118.68 123.76 3hkz s LEU 59 Ca -0.01 0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 53.53 3hkz s LEU 59 Cb -0.02 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.18 3hkz s LEU 59 CO -0.01 0.14 0.29 0.68 0.23 0.00 0.00 176.35 177.68 3hkz s VAL 60 N -1.51 -0.01 0.05 -1.59 -7.23 -1.26 -5.04 120.40 103.80 3hkz s VAL 60 Ca 0.36 0.03 -0.27 0.00 -1.81 0.00 0.00 61.98 60.29 3hkz s VAL 60 Cb -0.13 -0.42 -0.14 0.00 0.56 0.00 0.00 36.38 36.26 3hkz s VAL 60 CO 0.22 0.01 0.66 0.49 -0.31 0.00 0.00 175.10 176.17 3hkz n PHE 61 N 3.24 0.19 0.00 2.82 0.99 -1.26 -3.38 117.46 120.06 3hkz n PHE 61 Ca -0.16 0.76 0.00 0.00 -0.00 0.00 0.00 57.45 58.06 3hkz n PHE 61 Cb 0.57 -1.52 0.00 0.00 -1.00 0.00 0.00 39.48 37.53 3hkz n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hkz n GLY 62 N 1.23 0.67 3.69 1.37 0.00 -1.26 -5.02 105.19 105.88 3hkz n GLY 62 Ca 0.14 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3hkz n GLY 62 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hkz n ASP 63 N 2.38 2.88 0.23 1.61 -0.08 -1.22 -4.90 116.55 117.46 3hkz n ASP 63 Ca 0.00 1.17 0.15 0.00 -1.51 0.00 0.00 54.79 54.60 3hkz n ASP 63 Cb 0.00 -1.47 0.56 0.00 2.34 0.00 0.00 41.12 42.55 3hkz n ASP 63 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3hkz h GLY 64 N 3.67 0.00 0.00 0.27 0.00 -1.95 -3.42 103.07 101.63 3hkz h GLY 64 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3hkz h GLY 64 CO 0.71 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.25 3hkz n ALA 65 N -2.01 0.00 -3.23 3.60 0.00 -1.26 -4.62 120.51 112.99 3hkz n ALA 65 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 3hkz n ALA 65 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 3hkz n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hkz s THR 66 N 0.00 -0.91 -0.38 0.00 2.01 -0.39 -4.78 115.64 111.19 3hkz s THR 66 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 3hkz s THR 66 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 3hkz s THR 66 CO 0.00 0.00 0.26 -0.31 -0.69 0.00 0.00 174.62 173.88 3hkz s TYR 67 N 2.86 3.24 -0.09 4.92 1.51 -1.04 0.21 117.35 128.96 3hkz s TYR 67 Ca 0.14 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 3hkz s TYR 67 Cb -0.14 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3hkz s TYR 67 CO -0.19 -0.57 -0.06 -1.01 -1.11 0.00 0.00 175.55 172.61 3hkz s HIS 68 N 1.65 2.95 0.13 2.71 3.76 -1.07 -0.84 115.29 124.59 3hkz s HIS 68 Ca 0.04 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 3hkz s HIS 68 Cb -0.19 -1.78 -0.07 0.00 1.11 0.00 0.00 32.58 31.66 3hkz s HIS 68 CO 0.09 0.22 1.10 -1.83 -0.85 0.00 0.00 174.74 173.47 3hkz s GLU 69 N -0.47 4.56 -0.02 1.40 -1.05 -1.25 -0.87 118.70 121.00 3hkz s GLU 69 Ca 0.07 1.69 0.04 0.00 -0.15 0.00 0.00 54.97 56.62 3hkz s GLU 69 Cb -0.12 -3.31 -0.01 0.00 -0.44 0.00 0.00 34.13 30.25 3hkz s GLU 69 CO 0.02 -0.00 -0.13 0.08 0.95 0.00 0.00 175.26 176.18 3hkz s VAL 70 N 0.17 1.07 0.11 1.83 1.01 -0.65 -2.62 120.40 121.32 3hkz s VAL 70 Ca 0.51 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3hkz s VAL 70 Cb -0.28 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3hkz s VAL 70 CO 0.33 0.31 0.10 -1.61 0.00 0.00 0.00 175.10 174.23 3hkz s GLU 71 N -0.14 2.89 -0.12 2.72 2.02 -1.24 -1.92 118.70 122.92 3hkz s GLU 71 Ca 0.02 -0.76 -0.19 0.00 0.02 0.00 0.00 54.97 54.06 3hkz s GLU 71 Cb -0.07 -2.70 0.05 0.00 0.10 0.00 0.00 34.13 31.51 3hkz s GLU 71 CO 0.00 0.53 0.49 -0.59 0.02 0.00 0.00 175.26 175.72 3hkz s PHE 72 N -1.53 -0.49 0.13 1.61 -0.12 -0.57 -2.77 117.98 114.24 3hkz s PHE 72 Ca 0.30 1.06 -0.27 0.00 -0.05 0.00 0.00 56.93 57.97 3hkz s PHE 72 Cb -0.11 0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 42.42 3hkz s PHE 72 CO 0.23 -0.36 0.85 -0.51 -0.05 0.00 0.00 175.22 175.38 3hkz s ASP 73 N -0.37 7.42 0.25 1.98 1.01 -0.84 0.00 116.67 126.12 3hkz s ASP 73 Ca -0.05 1.69 0.09 0.00 0.71 0.00 0.00 52.55 54.99 3hkz s ASP 73 Cb -0.03 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3hkz s ASP 73 CO 0.03 0.07 0.03 -0.04 0.21 0.00 0.00 175.17 175.48 3hkz s MET 74 N -0.56 2.42 0.07 8.23 -1.94 0.10 -2.72 119.30 124.91 3hkz s MET 74 Ca 0.40 -1.31 0.10 0.00 -1.71 0.00 0.00 55.69 53.17 3hkz s MET 74 Cb -0.23 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 3hkz s MET 74 CO 0.27 0.38 -0.26 0.42 -0.01 0.00 0.00 175.02 175.82 3hkz s ILE 75 N -2.21 2.15 -0.01 2.53 1.01 -0.64 -2.25 121.20 121.79 3hkz s ILE 75 Ca 0.31 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.43 3hkz s ILE 75 Cb -0.07 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3hkz s ILE 75 CO 0.21 0.29 0.12 -0.89 0.00 0.00 0.00 174.94 174.67 3hkz s THR 76 N -0.87 0.07 -0.17 2.92 2.01 0.30 -2.12 115.64 117.78 3hkz s THR 76 Ca 0.12 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 3hkz s THR 76 Cb -0.10 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.04 3hkz s THR 76 CO 0.03 -0.31 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.03 3hkz s TYR 77 N -1.08 2.80 0.10 4.92 5.04 -1.18 0.42 117.35 128.37 3hkz s TYR 77 Ca -0.12 -1.10 0.07 0.00 -2.44 0.00 0.00 57.07 53.48 3hkz s TYR 77 Cb -0.06 -1.92 -0.03 0.00 0.35 0.00 0.00 41.96 40.29 3hkz s TYR 77 CO 0.01 -0.52 -0.18 0.54 -1.34 0.00 0.00 175.55 174.06 3hkz s VAL 78 N 0.95 1.50 0.05 3.14 0.11 -0.85 0.18 120.40 125.48 3hkz s VAL 78 Ca -0.03 -1.50 -0.16 0.00 -2.93 0.00 0.00 61.98 57.36 3hkz s VAL 78 Cb -0.15 -1.42 -0.06 0.00 -1.53 0.00 0.00 36.38 33.22 3hkz s VAL 78 CO -0.02 -0.15 0.48 -2.16 -3.33 0.00 0.00 175.10 169.91 3hkz s PRO 79 N -1.96 4.01 -0.19 1.54 0.05 -1.26 -0.93 135.00 136.26 3hkz s PRO 79 Ca 0.04 0.51 -0.02 0.00 0.05 0.00 0.00 61.00 61.58 3hkz s PRO 79 Cb -0.09 -3.17 -0.01 0.00 0.05 0.00 0.00 34.50 31.28 3hkz s PRO 79 CO 0.04 0.64 -0.08 0.08 0.05 0.00 0.00 177.00 177.72 3hkz s VAL 80 N -1.17 3.23 -0.60 -0.36 1.01 -1.26 -4.97 120.40 116.29 3hkz s VAL 80 Ca 0.28 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 3hkz s VAL 80 Cb -0.17 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3hkz s VAL 80 CO 0.16 0.47 2.18 -0.69 0.00 0.00 0.00 175.10 177.22 3hkz s VAL 81 N 1.04 3.16 0.00 2.92 1.01 -1.26 -3.69 120.40 123.58 3hkz s VAL 81 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3hkz s VAL 81 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3hkz s VAL 81 CO -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 175.10 174.69 3hkz n GLN 82 N 9.04 0.00 -3.66 2.72 6.02 -1.17 -4.99 117.38 125.34 3hkz n GLN 82 Ca 0.32 0.18 -0.08 0.00 -0.01 0.00 0.00 57.00 57.41 3hkz n GLN 82 Cb 0.52 -0.51 -0.08 0.00 1.02 0.00 0.00 30.24 31.19 3hkz n GLN 82 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hkz s GLU 83 N -0.80 0.63 0.25 -1.09 2.12 -1.24 -4.91 118.70 113.65 3hkz s GLU 83 Ca 0.00 1.09 -0.30 0.00 0.36 0.00 0.00 54.97 56.12 3hkz s GLU 83 Cb 0.00 0.11 -0.11 0.00 0.26 0.00 0.00 34.13 34.39 3hkz s GLU 83 CO 0.00 -0.15 1.53 0.08 -0.54 0.00 0.00 175.26 176.18 3hkz s VAL 84 N 1.51 2.39 0.06 3.70 1.01 -1.26 -3.14 120.40 124.66 3hkz s VAL 84 Ca -0.09 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.26 3hkz s VAL 84 Cb -0.06 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3hkz s VAL 84 CO -0.17 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.13 3hkz s VAL 85 N 0.20 1.23 -0.19 2.92 1.01 0.30 -4.97 120.40 120.90 3hkz s VAL 85 Ca 0.63 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3hkz s VAL 85 Cb -0.45 -1.13 0.06 0.00 0.00 0.00 0.00 36.38 34.86 3hkz s VAL 85 CO 0.43 -0.09 0.03 -1.61 0.00 0.00 0.00 175.10 173.86 3hkz s GLU 86 N -1.49 0.73 0.00 2.72 2.02 -1.26 -2.46 118.70 118.96 3hkz s GLU 86 Ca 0.01 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.57 3hkz s GLU 86 Cb -0.09 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3hkz s GLU 86 CO 0.02 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.10 3hkz n GLY 87 N 5.03 0.32 0.00 -1.39 0.00 -1.26 -4.99 105.19 102.90 3hkz n GLY 87 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hkz n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hkz n GLU 88 N -0.50 0.00 -2.52 1.61 2.13 -1.26 -4.77 120.64 115.33 3hkz n GLU 88 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 3hkz n GLU 88 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3hkz n GLU 88 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hkz s VAL 89 N -2.04 3.60 -0.01 6.31 1.01 -1.19 -2.27 120.40 125.81 3hkz s VAL 89 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.51 3hkz s VAL 89 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3hkz s VAL 89 CO 0.00 0.28 0.06 0.18 0.00 0.00 0.00 175.10 175.62 3hkz n LEU 90 N 0.88 0.00 -3.64 3.92 4.77 -1.18 -4.06 117.00 117.70 3hkz n LEU 90 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3hkz n LEU 90 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3hkz n LEU 90 CO 0.51 0.00 0.38 -1.58 -1.33 0.00 0.00 177.39 175.38 3hkz s GLN 91 N -2.19 0.79 -0.05 3.23 0.74 -1.26 -5.01 119.66 115.91 3hkz s GLN 91 Ca -0.01 1.00 0.04 0.00 0.05 0.00 0.00 55.36 56.44 3hkz s GLN 91 Cb 0.02 0.36 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 3hkz s GLN 91 CO 0.12 -0.10 -0.17 0.08 -0.55 0.00 0.00 175.29 174.67 3hkz s VAL 92 N 0.56 2.84 0.30 1.34 1.01 -1.26 -2.39 120.40 122.79 3hkz s VAL 92 Ca -0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3hkz s VAL 92 Cb -0.05 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3hkz s VAL 92 CO -0.02 0.59 0.54 -0.62 0.00 0.00 0.00 175.10 175.58 3hkz s ASP 93 N -0.63 0.20 0.00 3.32 2.15 -0.39 -4.98 116.67 116.33 3hkz s ASP 93 Ca 0.09 -1.10 0.09 0.00 0.43 0.00 0.00 52.55 52.06 3hkz s ASP 93 Cb -0.11 0.66 0.37 0.00 -0.30 0.00 0.00 42.92 43.54 3hkz s ASP 93 CO 0.01 -1.28 1.27 -0.46 -0.17 0.00 0.00 175.17 174.54 3hkz n ASN 94 N -0.83 0.00 0.10 -0.34 6.94 -1.26 -1.02 115.26 118.85 3hkz n ASN 94 Ca -0.02 0.49 0.08 0.00 -0.02 0.00 0.00 54.58 55.11 3hkz n ASN 94 Cb 0.61 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3hkz n ASN 94 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 3hkz h TYR 95 N 0.00 0.00 0.00 -2.53 0.99 -1.98 -3.46 116.97 109.99 3hkz h TYR 95 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3hkz h TYR 95 Cb 0.15 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.88 3hkz h TYR 95 CO 0.00 0.17 0.00 0.41 -0.00 0.00 0.00 178.16 178.74 3hkz n GLY 96 N 1.22 0.94 3.47 3.88 0.00 -0.19 -2.87 105.19 111.65 3hkz n GLY 96 Ca -0.02 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 3hkz n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 97 N -2.70 3.27 0.01 -0.61 1.01 0.21 -1.27 121.20 121.13 3hkz s ILE 97 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 3hkz s ILE 97 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 3hkz s ILE 97 CO 0.00 0.57 0.12 -0.36 0.00 0.00 0.00 174.94 175.26 3hkz s PHE 98 N -0.35 3.36 -0.02 3.97 0.40 -1.01 0.98 117.98 125.32 3hkz s PHE 98 Ca 0.04 0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 3hkz s PHE 98 Cb -0.12 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.66 3hkz s PHE 98 CO 0.02 0.57 -0.07 0.08 0.70 0.00 0.00 175.22 176.53 3hkz s VAL 99 N -1.28 0.58 -0.64 -0.44 1.01 0.13 -3.08 120.40 116.67 3hkz s VAL 99 Ca 0.26 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 3hkz s VAL 99 Cb -0.12 -0.52 0.09 0.00 0.00 0.00 0.00 36.38 35.83 3hkz s VAL 99 CO 0.18 0.18 0.84 0.21 0.00 0.00 0.00 175.10 176.51 3hkz s ASN 100 N 0.14 6.21 -0.17 3.32 3.84 -0.96 -0.48 114.94 126.83 3hkz s ASN 100 Ca -0.02 -1.30 0.05 0.00 0.21 0.00 0.00 52.86 51.80 3hkz s ASN 100 Cb -0.06 -2.36 0.40 0.00 -0.55 0.00 0.00 41.25 38.67 3hkz s ASN 100 CO -0.00 -1.25 1.30 0.18 -2.79 0.00 0.00 177.10 174.54 3hkz n LEU 101 N 6.91 4.13 0.00 3.21 4.77 0.53 -4.60 117.00 131.93 3hkz n LEU 101 Ca -0.05 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3hkz n LEU 101 Cb 0.44 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3hkz n LEU 101 CO 0.60 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3hkz n GLY 102 N 0.03 1.17 0.00 -0.72 0.00 -1.26 -4.46 105.19 99.95 3hkz n GLY 102 Ca 0.22 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 45.37 3hkz n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hkz n PRO 103 N 0.00 0.82 -4.24 1.61 -0.02 -1.26 -4.84 135.00 127.07 3hkz n PRO 103 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 3hkz n PRO 103 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.85 3hkz n PRO 103 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hkz s MET 104 N -2.01 0.78 -0.31 -0.52 -1.94 -1.26 -5.11 119.30 108.93 3hkz s MET 104 Ca 0.39 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.54 3hkz s MET 104 Cb 0.18 -0.74 -0.00 0.00 2.01 0.00 0.00 34.83 36.28 3hkz s MET 104 CO 0.31 0.17 0.13 -0.51 -0.01 0.00 0.00 175.02 175.11 3hkz s ASP 105 N -1.25 5.41 0.21 3.03 1.11 -1.26 -0.35 116.67 123.57 3hkz s ASP 105 Ca -0.01 -0.59 0.05 0.00 0.18 0.00 0.00 52.55 52.17 3hkz s ASP 105 Cb -0.08 -1.96 -0.03 0.00 1.07 0.00 0.00 42.92 41.91 3hkz s ASP 105 CO 0.01 -0.20 0.31 -0.83 1.18 0.00 0.00 175.17 175.65 3hkz s GLY 106 N 1.58 1.38 -0.08 0.21 0.00 0.37 -4.16 107.32 106.62 3hkz s GLY 106 Ca 0.04 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.61 3hkz s GLY 106 CO 0.05 -1.22 -0.24 -2.27 0.00 0.00 0.00 173.10 169.42 3hkz s LEU 107 N -3.73 2.07 -0.39 0.66 2.96 -1.09 0.21 118.68 119.37 3hkz s LEU 107 Ca 0.34 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3hkz s LEU 107 Cb -0.09 -1.38 0.08 0.00 0.50 0.00 0.00 46.19 45.30 3hkz s LEU 107 CO 0.28 0.20 0.20 -0.69 -1.32 0.00 0.00 176.35 175.02 3hkz s VAL 108 N 0.09 3.73 0.69 1.68 1.01 0.27 0.19 120.40 128.07 3hkz s VAL 108 Ca -0.11 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.12 3hkz s VAL 108 Cb -0.16 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3hkz s VAL 108 CO 0.06 -0.49 1.24 -2.28 0.00 0.00 0.00 175.10 173.63 3hkz s HIS 109 N 1.31 2.08 0.20 5.22 2.46 -1.25 0.66 115.29 125.97 3hkz s HIS 109 Ca 0.03 1.56 -0.09 0.00 0.47 0.00 0.00 55.06 57.03 3hkz s HIS 109 Cb -0.22 -3.55 0.13 0.00 -0.13 0.00 0.00 32.58 28.81 3hkz s HIS 109 CO -0.00 -2.69 1.76 0.82 -2.47 0.00 0.00 174.74 172.16 3hkz h ILE 110 N 0.07 1.26 -0.54 0.89 1.08 -1.86 -2.74 117.51 115.67 3hkz h ILE 110 Ca -0.49 -0.82 -0.07 0.00 -0.39 0.00 0.00 64.86 63.09 3hkz h ILE 110 Cb 1.31 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 3hkz h ILE 110 CO 0.51 0.33 0.04 0.77 -0.69 0.00 0.00 178.15 179.11 3hkz h SER 111 N 1.08 0.85 -1.56 1.72 4.64 -1.93 -3.21 113.55 115.15 3hkz h SER 111 Ca 0.25 -0.20 -0.64 0.00 -0.47 0.00 0.00 61.79 60.72 3hkz h SER 111 Cb 0.23 -0.23 -0.23 0.00 -0.31 0.00 0.00 62.40 61.87 3hkz h SER 111 CO -0.02 0.89 0.77 0.00 -0.87 0.00 0.00 176.83 177.60 3hkz n GLN 112 N -4.22 2.64 0.05 4.77 1.13 -1.04 -4.63 117.38 116.08 3hkz n GLN 112 Ca 0.03 -2.99 0.00 0.00 -1.94 0.00 0.00 57.00 52.10 3hkz n GLN 112 Cb 0.29 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.43 3hkz n GLN 112 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3hkz n ILE 113 N 0.15 1.01 -3.53 5.09 3.06 -1.21 -2.22 119.36 121.72 3hkz n ILE 113 Ca 0.52 0.34 -0.18 0.00 -2.50 0.00 0.00 62.75 60.92 3hkz n ILE 113 Cb 0.38 -1.52 -0.06 0.00 0.54 0.00 0.00 39.64 38.98 3hkz n ILE 113 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 3hkz s THR 114 N -2.00 0.00 -0.71 9.51 2.01 -1.26 -4.28 115.64 118.92 3hkz s THR 114 Ca 0.00 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 3hkz s THR 114 Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3hkz s THR 114 CO 0.00 -0.00 1.94 -0.62 -0.69 0.00 0.00 174.62 175.25 3hkz s ASP 115 N -1.17 5.13 0.00 3.53 2.15 -1.26 -4.63 116.67 120.43 3hkz s ASP 115 Ca -0.11 0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.91 3hkz s ASP 115 Cb -0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3hkz s ASP 115 CO 0.10 -2.58 0.00 -0.67 -0.17 0.00 0.00 175.17 171.85 3hkz n ASP 116 N 13.54 0.00 -4.34 -0.34 2.03 -1.26 -5.04 116.55 121.14 3hkz n ASP 116 Ca 0.29 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.29 3hkz n ASP 116 Cb 0.50 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.75 3hkz n ASP 116 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hkz s THR 117 N 0.00 2.14 -0.84 5.18 2.01 -1.26 -5.02 115.64 117.85 3hkz s THR 117 Ca 0.00 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 60.71 3hkz s THR 117 Cb 0.00 -1.81 0.29 0.00 0.01 0.00 0.00 72.50 70.99 3hkz s THR 117 CO 0.00 0.43 1.14 0.18 -0.69 0.00 0.00 174.62 175.67 3hkz n LEU 118 N 1.95 5.15 -4.91 4.42 4.77 -1.26 -4.87 117.00 122.25 3hkz n LEU 118 Ca -0.17 -5.37 -0.26 0.00 -0.03 0.00 0.00 56.01 50.18 3hkz n LEU 118 Cb 0.52 -0.94 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3hkz n LEU 118 CO 0.23 1.93 0.06 -0.54 -1.33 0.00 0.00 177.39 177.74 3hkz s LYS 119 N -2.81 2.25 -0.24 3.23 1.02 -1.26 -5.07 119.74 116.86 3hkz s LYS 119 Ca 0.37 -2.03 -0.10 0.00 0.02 0.00 0.00 55.97 54.23 3hkz s LYS 119 Cb 0.12 -2.10 0.09 0.00 -0.52 0.00 0.00 37.83 35.42 3hkz s LYS 119 CO 0.02 -0.64 0.54 -0.47 -0.92 0.00 0.00 175.35 173.88 3hkz s TYR 120 N -2.78 -0.98 -0.23 3.18 5.04 -1.26 -4.78 117.35 115.54 3hkz s TYR 120 Ca 0.34 1.85 -0.13 0.00 -2.44 0.00 0.00 57.07 56.69 3hkz s TYR 120 Cb -0.02 0.52 -0.04 0.00 0.35 0.00 0.00 41.96 42.76 3hkz s TYR 120 CO 0.21 -0.52 0.27 0.34 -1.34 0.00 0.00 175.55 174.52 3hkz s ASP 121 N 2.25 6.25 0.00 4.32 -1.08 -0.03 -4.99 116.67 123.39 3hkz s ASP 121 Ca -0.06 0.28 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 3hkz s ASP 121 Cb -0.10 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 3hkz s ASP 121 CO -0.16 -0.02 0.00 0.59 0.52 0.00 0.00 175.17 176.10 3hkz n ASN 122 N 4.48 0.00 0.00 -0.34 3.02 -1.26 -1.36 115.26 119.79 3hkz n ASN 122 Ca -0.12 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.45 3hkz n ASN 122 Cb 0.52 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.76 3hkz n ASN 122 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hkz n VAL 123 N 0.00 1.13 0.35 2.41 0.31 -1.26 0.12 118.33 121.38 3hkz n VAL 123 Ca 0.00 0.28 0.07 0.00 -0.01 0.00 0.00 64.34 64.68 3hkz n VAL 123 Cb 0.00 -1.23 -0.10 0.00 -0.91 0.00 0.00 33.84 31.60 3hkz n VAL 123 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hkz n ARG 124 N -1.31 1.42 -2.19 5.55 3.00 -1.26 -5.06 116.66 116.81 3hkz n ARG 124 Ca 0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.85 57.75 3hkz n ARG 124 Cb 0.03 -1.25 0.02 0.00 0.00 0.00 0.00 32.46 31.25 3hkz n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hkz n GLY 125 N 1.49 -0.08 3.01 5.14 0.00 0.32 -5.05 105.19 110.01 3hkz n GLY 125 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3hkz n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 126 N -3.12 0.31 -0.71 -0.61 -1.09 -0.47 -4.72 121.20 110.79 3hkz s ILE 126 Ca 0.15 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.71 3hkz s ILE 126 Cb -0.02 -0.40 0.18 0.00 -1.58 0.00 0.00 42.46 40.64 3hkz s ILE 126 CO 0.30 -0.36 0.52 -0.63 -1.23 0.00 0.00 174.94 173.54 3hkz s ILE 127 N -1.21 3.47 0.62 2.92 -1.09 -1.11 -0.85 121.20 123.94 3hkz s ILE 127 Ca -0.11 -3.68 -0.02 0.00 -2.23 0.00 0.00 60.65 54.61 3hkz s ILE 127 Cb -0.09 -3.25 0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3hkz s ILE 127 CO -0.00 -0.96 0.87 0.12 -1.23 0.00 0.00 174.94 173.74 3hkz s PHE 128 N -0.89 2.86 0.00 3.97 5.36 -1.26 -2.94 117.98 125.07 3hkz s PHE 128 Ca 0.22 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3hkz s PHE 128 Cb -0.13 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 3hkz s PHE 128 CO -0.09 -1.11 0.00 0.41 -1.46 0.00 0.00 175.22 172.97 3hkz n GLY 129 N -2.58 3.62 2.81 13.12 0.00 -1.25 -4.66 105.19 116.25 3hkz n GLY 129 Ca 0.08 -2.19 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 3hkz n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 130 N -0.26 1.65 0.01 1.61 1.02 -1.26 -4.63 120.64 118.77 3hkz n GLU 130 Ca 0.00 -3.20 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 3hkz n GLU 130 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3hkz n GLU 130 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hkz n LYS 131 N -0.69 0.00 -0.00 3.49 5.02 -1.26 -4.94 118.16 119.77 3hkz n LYS 131 Ca 0.04 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 3hkz n LYS 131 Cb 0.81 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.74 3hkz n LYS 131 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hkz n SER 132 N -2.45 2.00 -3.21 4.39 3.41 -1.26 -5.08 113.62 111.42 3hkz n SER 132 Ca 0.00 -0.16 -0.10 0.00 -0.26 0.00 0.00 58.87 58.34 3hkz n SER 132 Cb 0.00 1.41 0.01 0.00 -0.26 0.00 0.00 64.21 65.36 3hkz n SER 132 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hkz n LYS 133 N -1.76 -1.65 -2.27 4.33 5.02 -1.26 -4.96 118.16 115.62 3hkz n LYS 133 Ca -0.01 1.47 -0.39 0.00 -2.02 0.00 0.00 58.31 57.35 3hkz n LYS 133 Cb 0.27 -4.68 -0.02 0.00 -0.02 0.00 0.00 35.03 30.57 3hkz n LYS 133 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hkz s LYS 134 N -3.28 4.23 -1.11 1.97 1.02 -1.26 -4.62 119.74 116.70 3hkz s LYS 134 Ca 0.09 1.95 -0.07 0.00 0.02 0.00 0.00 55.97 57.95 3hkz s LYS 134 Cb -0.02 -2.87 0.29 0.00 -0.52 0.00 0.00 37.83 34.71 3hkz s LYS 134 CO 0.80 -0.20 1.24 0.28 -0.92 0.00 0.00 175.35 176.55 3hkz n VAL 135 N 0.46 4.84 -2.49 3.17 0.31 -1.26 -3.75 118.33 119.62 3hkz n VAL 135 Ca 0.02 -5.58 -0.43 0.00 -0.01 0.00 0.00 64.34 58.35 3hkz n VAL 135 Cb 0.45 -2.42 -0.02 0.00 -0.91 0.00 0.00 33.84 30.94 3hkz n VAL 135 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hkz s ILE 136 N -1.81 4.38 0.00 2.52 -1.09 -1.15 -5.00 121.20 119.05 3hkz s ILE 136 Ca 0.31 1.67 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 3hkz s ILE 136 Cb -0.05 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 3hkz s ILE 136 CO -0.02 -0.11 0.00 0.00 -1.23 0.00 0.00 174.94 173.59 3hkz n GLN 137 N 6.15 0.95 -1.19 2.79 6.02 -1.26 -2.76 117.38 128.08 3hkz n GLN 137 Ca 0.13 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.77 3hkz n GLN 137 Cb 0.46 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.68 3hkz n GLN 137 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hkz n LYS 138 N 0.00 3.32 0.00 -1.09 4.76 -1.26 -3.84 118.16 120.04 3hkz n LYS 138 Ca 0.00 -1.99 0.00 0.00 -2.87 0.00 0.00 58.31 53.45 3hkz n LYS 138 Cb 0.00 -2.68 0.00 0.00 -1.84 0.00 0.00 35.03 30.51 3hkz n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkz n GLY 139 N 3.52 -1.26 3.29 0.72 0.00 -1.26 -4.89 105.19 105.32 3hkz n GLY 139 Ca 0.71 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 46.68 3hkz n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 140 N 0.00 5.85 -0.21 1.61 1.11 -1.25 -4.80 116.67 118.98 3hkz s ASP 140 Ca 0.00 -1.57 -0.28 0.00 0.18 0.00 0.00 52.55 50.88 3hkz s ASP 140 Cb 0.00 -2.07 -0.05 0.00 1.07 0.00 0.00 42.92 41.87 3hkz s ASP 140 CO 0.00 -0.63 2.22 0.29 1.18 0.00 0.00 175.17 178.22 3hkz n LYS 141 N 5.03 1.98 -0.04 8.23 5.02 -1.26 -3.16 118.16 133.96 3hkz n LYS 141 Ca -0.11 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3hkz n LYS 141 Cb 0.42 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.21 3hkz n LYS 141 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3hkz n VAL 142 N 7.66 0.00 -2.85 -0.18 0.24 -1.26 0.10 118.33 122.03 3hkz n VAL 142 Ca 0.30 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.58 3hkz n VAL 142 Cb 0.44 -0.97 0.01 0.00 -1.47 0.00 0.00 33.84 31.85 3hkz n VAL 142 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hkz s ARG 143 N 2.74 0.61 0.00 7.34 3.52 -0.54 -4.31 118.95 128.30 3hkz s ARG 143 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 3hkz s ARG 143 Cb 0.00 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 3hkz s ARG 143 CO 0.00 -0.81 0.00 0.00 -0.81 0.00 0.00 175.30 173.68 3hkz n ALA 144 N 3.39 0.00 -3.48 6.12 0.00 -1.03 -3.27 120.51 122.24 3hkz n ALA 144 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 3hkz n ALA 144 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 3hkz n ALA 144 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkz s ARG 145 N 1.08 0.58 0.50 0.00 3.52 -1.24 -0.54 118.95 122.86 3hkz s ARG 145 Ca 0.00 0.77 -0.22 0.00 -0.13 0.00 0.00 55.73 56.15 3hkz s ARG 145 Cb 0.00 0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 33.55 3hkz s ARG 145 CO 0.00 -0.09 1.15 0.28 -0.81 0.00 0.00 175.30 175.83 3hkz n VAL 146 N 3.16 3.16 0.05 7.11 0.31 -1.19 -2.49 118.33 128.44 3hkz n VAL 146 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 3hkz n VAL 146 Cb 0.56 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 3hkz n VAL 146 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hkz n ILE 147 N -0.90 0.79 -3.66 2.52 2.08 -0.23 -3.05 119.36 116.90 3hkz n ILE 147 Ca 0.10 0.26 -0.19 0.00 0.56 0.00 0.00 62.75 63.48 3hkz n ILE 147 Cb 0.43 -1.41 -0.17 0.00 -0.75 0.00 0.00 39.64 37.74 3hkz n ILE 147 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3hkz s SER 148 N -5.64 1.05 -0.01 4.38 1.04 -1.26 -4.86 113.70 108.41 3hkz s SER 148 Ca 0.00 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.59 3hkz s SER 148 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3hkz s SER 148 CO 0.00 -0.25 -0.05 -0.69 0.98 0.00 0.00 173.24 173.22 3hkz s VAL 149 N 2.22 0.45 -0.28 5.02 1.01 -1.26 -2.82 120.40 124.74 3hkz s VAL 149 Ca 0.04 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 3hkz s VAL 149 Cb -0.12 -0.41 0.12 0.00 0.00 0.00 0.00 36.38 35.97 3hkz s VAL 149 CO -0.05 0.15 1.01 0.00 0.00 0.00 0.00 175.10 176.21 3hkz s ALA 150 N 0.10 -1.96 0.05 5.51 0.00 -1.26 -5.05 121.76 119.15 3hkz s ALA 150 Ca -0.01 1.88 0.07 0.00 0.00 0.00 0.00 51.96 53.90 3hkz s ALA 150 Cb -0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3hkz s ALA 150 CO -0.00 -0.24 -0.20 -1.54 0.00 0.00 0.00 175.76 173.77 3hkz s SER 151 N 0.21 2.39 -0.06 0.00 1.04 -1.26 -4.20 113.70 111.81 3hkz s SER 151 Ca 0.03 -0.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.71 3hkz s SER 151 Cb -0.05 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 3hkz s SER 151 CO -0.06 0.14 0.61 -0.89 0.98 0.00 0.00 173.24 174.02 3hkz s THR 152 N -0.84 5.04 0.00 2.02 2.01 -1.26 -4.92 115.64 117.69 3hkz s THR 152 Ca 0.07 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.31 3hkz s THR 152 Cb -0.09 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3hkz s THR 152 CO 0.02 0.32 0.66 0.52 -0.69 0.00 0.00 174.62 175.45 3hkz n VAL 153 N 3.42 0.00 -3.68 3.82 0.31 -1.26 -5.14 118.33 115.80 3hkz n VAL 153 Ca -0.04 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.12 3hkz n VAL 153 Cb 0.51 -0.92 -0.09 0.00 -0.91 0.00 0.00 33.84 32.43 3hkz n VAL 153 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3hkz s PRO 158 N 3.61 0.67 -0.30 5.55 0.04 -1.26 -5.06 135.00 138.24 3hkz s PRO 158 Ca 0.05 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3hkz s PRO 158 Cb 0.01 0.32 0.12 0.00 0.04 0.00 0.00 34.50 35.00 3hkz s PRO 158 CO 0.03 -0.10 0.67 0.50 0.04 0.00 0.00 177.00 178.14 3hkz s ARG 159 N 0.13 0.59 0.27 4.56 3.52 -1.26 -5.01 118.95 121.75 3hkz s ARG 159 Ca -0.01 1.39 -0.17 0.00 -0.13 0.00 0.00 55.73 56.81 3hkz s ARG 159 Cb -0.04 0.74 -0.09 0.00 -1.56 0.00 0.00 34.95 34.01 3hkz s ARG 159 CO 0.01 -0.19 0.72 0.42 -0.81 0.00 0.00 175.30 175.46 3hkz s ILE 160 N 2.68 4.64 0.08 4.11 1.09 -1.26 -4.31 121.20 128.23 3hkz s ILE 160 Ca -0.06 1.08 0.09 0.00 -1.10 0.00 0.00 60.65 60.65 3hkz s ILE 160 Cb -0.11 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 3hkz s ILE 160 CO -0.19 0.00 -0.24 0.00 -0.10 0.00 0.00 174.94 174.41 3hkz s ALA 161 N -1.76 2.07 0.01 9.38 0.00 -1.13 -2.65 121.76 127.69 3hkz s ALA 161 Ca 0.49 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3hkz s ALA 161 Cb -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3hkz s ALA 161 CO 0.19 0.47 -0.03 -0.51 0.00 0.00 0.00 175.76 175.87 3hkz s LEU 162 N -1.58 2.13 0.20 0.00 1.43 0.50 -1.07 118.68 120.30 3hkz s LEU 162 Ca 0.10 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 3hkz s LEU 162 Cb -0.10 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.05 3hkz s LEU 162 CO 0.03 -0.14 -0.15 0.28 0.23 0.00 0.00 176.35 176.61 3hkz s THR 163 N -0.79 1.78 -0.27 5.49 -1.32 -1.04 -3.86 115.64 115.63 3hkz s THR 163 Ca -0.07 -2.20 0.16 0.00 -1.21 0.00 0.00 61.69 58.37 3hkz s THR 163 Cb -0.06 -2.04 0.49 0.00 -1.51 0.00 0.00 72.50 69.39 3hkz s THR 163 CO -0.00 -0.56 1.14 0.23 -2.21 0.00 0.00 174.62 173.22 3hkz n MET 164 N -0.33 2.50 -1.06 7.08 2.81 -0.94 -3.59 117.12 123.59 3hkz n MET 164 Ca -0.08 -3.78 -0.23 0.00 -1.81 0.00 0.00 57.70 51.80 3hkz n MET 164 Cb 0.60 -1.88 0.11 0.00 -0.71 0.00 0.00 33.22 31.34 3hkz n MET 164 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hkz n ARG 165 N -0.64 2.15 -3.78 0.03 5.12 -1.26 -4.49 116.66 113.78 3hkz n ARG 165 Ca 0.22 -2.50 -0.13 0.00 -1.93 0.00 0.00 57.85 53.51 3hkz n ARG 165 Cb 0.87 -1.98 -0.10 0.00 -1.16 0.00 0.00 32.46 30.09 3hkz n ARG 165 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hkz s GLN 166 N -2.82 0.44 -0.31 5.56 -0.21 -1.26 -5.14 119.66 115.92 3hkz s GLN 166 Ca 0.48 0.13 -0.43 0.00 0.02 0.00 0.00 55.36 55.57 3hkz s GLN 166 Cb 0.39 0.20 -0.19 0.00 1.00 0.00 0.00 33.01 34.42 3hkz s GLN 166 CO 0.05 -0.09 1.35 -2.30 -2.12 0.00 0.00 175.29 172.18 3hkz n PRO 167 N 2.29 0.00 -2.43 2.91 -0.02 -1.26 -3.75 135.00 132.73 3hkz n PRO 167 Ca -0.16 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.25 3hkz n PRO 167 Cb 0.57 -1.43 0.03 0.00 -0.02 0.00 0.00 33.50 32.65 3hkz n PRO 167 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hkz n TYR 168 N 2.98 -0.87 -3.64 6.00 4.02 -1.26 -5.08 117.16 119.31 3hkz n TYR 168 Ca 0.26 0.35 -0.22 0.00 -0.01 0.00 0.00 57.90 58.28 3hkz n TYR 168 Cb -0.01 -3.17 -0.17 0.00 -0.02 0.00 0.00 39.34 35.97 3hkz n TYR 168 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hkz s LEU 169 N -3.75 0.18 0.00 7.72 1.43 -1.25 -4.97 118.68 118.05 3hkz s LEU 169 Ca 0.05 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3hkz s LEU 169 Cb -0.01 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.10 3hkz s LEU 169 CO 0.28 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.18 3hkz n GLY 170 N 5.30 -0.73 3.68 -3.19 0.00 -1.20 -4.82 105.19 104.23 3hkz n GLY 170 Ca -0.05 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3hkz n GLY 170 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkz s LYS 171 N -0.21 1.10 0.01 1.61 2.20 -1.26 -1.47 119.74 121.71 3hkz s LYS 171 Ca 0.00 1.41 -0.24 0.00 -0.36 0.00 0.00 55.97 56.78 3hkz s LYS 171 Cb 0.00 -1.75 -0.17 0.00 -1.51 0.00 0.00 37.83 34.40 3hkz s LYS 171 CO 0.00 -2.53 1.34 -0.07 -0.36 0.00 0.00 175.35 173.73 3hkz h LEU 172 N -1.79 0.14 -1.97 5.43 3.38 0.41 -2.85 115.31 118.05 3hkz h LEU 172 Ca -0.45 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 3hkz h LEU 172 Cb 1.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3hkz h LEU 172 CO 0.44 0.55 0.03 -0.62 0.09 0.00 0.00 178.44 178.94 3hkz n GLU 173 N -4.77 1.10 0.00 1.13 1.02 -1.26 -2.96 120.64 114.90 3hkz n GLU 173 Ca -0.07 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 3hkz n GLU 173 Cb 0.26 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 3hkz n GLU 173 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3hkz n TRP 174 N 0.34 0.00 0.12 -0.32 7.02 -1.17 -4.78 117.44 118.66 3hkz n TRP 174 Ca 0.03 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.53 3hkz n TRP 174 Cb 0.53 0.01 -0.00 0.00 -2.42 0.00 0.00 31.31 29.42 3hkz n TRP 174 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3hkz n ILE 175 N 0.00 0.00 0.09 -0.99 2.08 -1.09 -3.69 119.36 115.76 3hkz n ILE 175 Ca 0.00 -0.46 -0.13 0.00 0.56 0.00 0.00 62.75 62.72 3hkz n ILE 175 Cb 0.28 1.02 -0.13 0.00 -0.75 0.00 0.00 39.64 40.07 3hkz n ILE 175 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 3hkz h THR 176 N 0.22 1.58 0.00 1.39 2.02 -1.84 -1.80 112.91 114.49 3hkz h THR 176 Ca 0.00 -3.20 -0.02 0.00 0.77 0.00 0.00 66.41 63.96 3hkz h THR 176 Cb 0.08 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3hkz h THR 176 CO 0.00 0.93 -0.11 1.56 0.37 0.00 0.00 175.52 178.26 3hkz h GLN 177 N 0.05 0.00 0.04 6.66 7.50 -1.85 -2.86 115.11 124.64 3hkz h GLN 177 Ca -0.09 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.79 3hkz h GLN 177 Cb 1.89 0.00 0.02 0.00 0.05 0.00 0.00 27.48 29.45 3hkz h GLN 177 CO 0.18 0.11 -1.10 1.15 -1.50 0.00 0.00 178.83 177.67 3hkz h THR 178 N 0.00 1.29 -3.24 -0.54 2.02 -1.62 -3.40 112.91 107.42 3hkz h THR 178 Ca -0.00 -2.34 -0.78 0.00 0.77 0.00 0.00 66.41 64.07 3hkz h THR 178 Cb 0.65 2.49 -0.30 0.00 -1.74 0.00 0.00 68.15 69.25 3hkz h THR 178 CO 0.01 0.72 0.41 0.29 0.37 0.00 0.00 175.52 177.32 3hkz n LYS 179 N -3.82 3.63 0.00 6.66 5.02 -0.68 -5.07 118.16 123.89 3hkz n LYS 179 Ca -0.11 -4.51 0.00 0.00 -2.02 0.00 0.00 58.31 51.67 3hkz n LYS 179 Cb 0.91 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 3hkz n LYS 179 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51